CFam Chemical Families Database
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You are searching for "CFAMM00454498" in compound.

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CFAM Mol ID CFAMM00454498
Family CFFBM20082 High affinity choline transporter 1 inhibitor 1-[4-(3,4,5-trimethoxyphenyl)but-3-ynyl]-1-azoniabicyclo[2.2.2]octane;chloride family
Superfamily CFSBM7805 Microtubule-associated protein tau and High affinity choline transporter 1 Binder Superfamily
Class CFCAD576 Class 576
External ID CHEMBL1209508 External Source CHEMBL
PubChem CID 49862515 Functional Category Bioactive
Molecule Name 1-[4-(3,4,5-trimethoxyphenyl)but-3-ynyl]-1-azoniabicyclo[2.2.2]octane;chloride
IUPAC Name 1-[4-(3,4,5-trimethoxyphenyl)but-3-ynyl]-1-azoniabicyclo[2.2.2]octane;chloride
Synonyms AGN-PC-088VIT;1-[4-(3,4,5-trimethoxyphenyl)but-3-ynyl]-1-azoniabicyclo[2.2.2]octane;chloride
InChi InChI=1S/C20H28NO3.ClH/c1-22-18-14-17(15-19(23-2)20(18)24-3)6-4-5-10-21-11-7-16(8-12-21)9-13-21;/h14-16H,5,7-13H2,1-3H3;1H/q+1;/p-1
InChiKey UFFDHQZJJRFSSE-UHFFFAOYSA-M
Formula C20H28ClNO3 Molecular Weight 365.89
Cross Link CHEMBL1209508
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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